SCHEMBL9939181

SCHEMBL9939181

COC(=O)c1nc(-c2ccc(C#N)cc2N)cc(N)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
NQO2 P16083 2/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90B1 P14625 1/20 0.35
PKM P14618 2/20 0.35
RCE1 Q9Y256 1/20 0.35
ABL1 P00519 1/20 0.35
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
ALPL P05186 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9938713 0.91 KDM4E (0.37) NCEH1MRGPRX4KDM4EALDH1A1HPGD
SCHEMBL16075396 0.90 ALPL (0.39) NCEH1CYP11B1CYP11B2ALPL
SCHEMBL9939063 0.85 NQO2 (0.37) NCEH1MRGPRX4KDM4EALDH1A1HPGD
SCHEMBL9938790 0.84 ABL1 (0.51) KDM4EALDH1A1HPGDNQO2HSP90AA1
SCHEMBL9939346 0.83 KDM4E (0.48) KDM4EALDH1A1HPGDNQO2PKM
SCHEMBL9939145 0.83 CYP46A1 (0.42) KDM4EALDH1A1HPGDNQO2PKM
SCHEMBL2464805 0.83 ATR (0.47) PRKDCATR
SCHEMBL9939645 0.82 KDM4E (0.44) KDM4EALDH1A1HPGDNQO2HSP90AA1
SCHEMBL9938104 0.82 ALPL (0.41) KDM4EALDH1A1HPGDNQO2PKM
SCHEMBL9939744 0.80 ALDH1A1 (0.43) KDM4EALDH1A1HPGDNQO2HSP90AA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665710-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-11-27 EP disclosed
CN-103380116-A 6-(2-aminophenyl)picolinates and their use as herbicides BAYER IP GMBH 2013-10-30 CN disclosed
WO-2012080187-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 WO disclosed